%chk=000040330.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040330

0 1
 S   -1.688400      -2.773700      0.8037000    
 F    6.050400      0.9567000     -0.6965000    
 F    5.883700      -1.160700     -0.2577000    
 F    5.121900     -0.3798000      -2.138700    
 O   -1.997400      0.3155000       3.591200    
 N   -3.120600       1.166800      0.1451000    
 C   -2.870600       1.349900       1.573000    
 C   -2.203600      0.1070000       2.189500    
 C   -3.324800       2.459200     -0.5092000    
 C   -4.280200      0.3000000     -6.5099999E-02
 C  -0.8858000     -0.1995000       1.548200    
 C   -1.985500       3.161900     -0.7255000    
 C   -4.221100     -0.3382000      -1.451900    
 C  -0.6099000      -1.433500      0.9321000    
 C   0.6278000      -1.701700      0.3364000    
 C   0.1005000      0.7867000       1.567500    
 C    1.629200     -0.6739000      0.3664000    
 C    1.350200      0.5694000      0.9879000    
 C   -1.049600       2.314100      -1.587600    
 C   -5.414200      -1.266000      -1.684400    
 C   0.6394000      -3.033800     -0.2163000    
 C    2.898600     -0.8798000     -0.2161000    
 C    2.340500       1.564600       1.009800    
 C   0.2727000       3.022100      -1.837000    
 C   -5.381600      -1.877800      -3.076000    
 C    3.867400      0.1237000     -0.1826000    
 C  -0.5417000      -3.711800     -3.1500001E-02
 C    3.589300       1.342200      0.4288000    
 C    5.203600     -0.1096000     -0.8035000    
 H   -2.246600       2.224800       1.784200    
 H   -3.806400       1.564800       2.109500    
 H   -2.884300     -0.7440000       2.139900    
 H   -3.996600       3.102000      7.4900001E-02
 H   -3.792600       2.350900      -1.494000    
 H   -4.314900     -0.5206000      0.6585000    
 H   -5.218900      0.8549000      6.7100003E-02
 H   -1.498200       3.417500      0.2210000    
 H   -2.175200       4.115900      -1.233800    
 H   -3.290500     -0.9099000      -1.558100    
 H   -4.215900      0.4220000      -2.240400    
 H  -9.3400002E-02   1.739900       2.056300    
 H   -1.525100       2.103200      -2.553200    
 H  -0.8431000       1.347600      -1.121100    
 H   -6.349800     -0.7082000      -1.560700    
 H   -5.413100      -2.069000     -0.9382000    
 H   -2.861400      0.5223000       3.986600    
 H    1.482900      -3.477800     -0.7300000    
 H    3.140600      -1.823300     -0.6999000    
 H    2.147800       2.526600       1.480800    
 H   0.7674000       3.279300     -0.8962000    
 H   0.9451000       2.379800      -2.414200    
 H   0.1182000       3.946500      -2.402800    
 H   -5.418100      -1.101900      -3.847300    
 H   -4.470800      -2.467000      -3.223700    
 H   -6.241400      -2.539700      -3.219200    
 H  -0.7801000      -4.716400     -0.3514000    
 H    4.331600       2.134900      0.4637000    


%chk=000040330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040330

0 1
S -1.599248 -2.394711 0.108030
F 6.610130 0.327012 0.715469
F 5.805159 -0.835055 -1.062861
F 5.910494 1.430113 -1.129371
O -1.942558 0.401886 3.620520
N -3.281359 1.100496 0.132220
C -2.894023 1.325075 1.536943
C -2.133310 0.126045 2.181051
C -3.211162 2.340622 -0.691572
C -4.564034 0.358630 0.001021
C -0.744905 -0.072159 1.596679
C -1.772269 2.703230 -1.121929
C -4.727073 -0.368752 -1.349578
C -0.444546 -1.118296 0.675449
C 0.844019 -1.301672 0.104120
C 0.292275 0.796517 1.945030
C 1.905516 -0.388110 0.453993
C 1.611452 0.670300 1.396531
C -1.164230 1.698060 -2.124802
C -6.039360 -1.183356 -1.421632
C 0.905605 -2.447892 -0.779800
C 3.223076 -0.492427 -0.083346
C 2.657740 1.578157 1.766326
C 0.299445 2.026937 -2.487033
C -6.222199 -1.895247 -2.779354
C 4.217210 0.414590 0.296463
C -0.286791 -3.130831 -0.883011
C 3.938467 1.462424 1.230678
C 5.595847 0.325251 -0.282857
H -2.233017 2.207574 1.602796
H -3.788453 1.544612 2.180608
H -2.734186 -0.799029 2.050876
H -3.673504 3.204640 -0.151278
H -3.818350 2.180479 -1.601157
H -4.598406 -0.402564 0.805442
H -5.444097 1.033293 0.169566
H -1.116296 2.765538 -0.229308
H -1.785865 3.718632 -1.570424
H -3.855995 -1.035952 -1.494440
H -4.711711 0.360042 -2.184286
H 0.093496 1.578200 2.686013
H -1.783180 1.686245 -3.046192
H -1.230492 0.684370 -1.687457
H -6.902923 -0.511247 -1.237477
H -6.049825 -1.935039 -0.605775
H -2.819696 0.646201 4.014180
H 1.804083 -2.759515 -1.316786
H 3.463249 -1.285638 -0.796580
H 2.435480 2.374132 2.485576
H 0.944226 2.002022 -1.588173
H 0.708274 1.299827 -3.212772
H 0.386217 3.035685 -2.934713
H -6.249934 -1.164020 -3.609198
H -5.386268 -2.592425 -2.976463
H -7.162147 -2.476319 -2.809354
H -0.514428 -4.019268 -1.469605
H 4.731780 2.157784 1.521302


